CHEBI:27430 - 7-O-methylluteone

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ChEBI Name 7-O-methylluteone
ChEBI ID CHEBI:27430
ChEBI ASCII Name 7-O-methylluteone
Definition A hydroxyisoflavone that is luteone in which the hydroxy group at position 7 is replaced by a methoxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:12249, CHEBI:2280, CHEBI:20781
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Formula C21H20O6
Net Charge 0
Average Mass 368.37990
Monoisotopic Mass 368.12599
InChI InChI=1S/C21H20O6/c1-11(2)4-6-14-17(26-3)9-18-19(20(14)24)21(25)15(10-27-18)13-7-5-12(22)8-16(13)23/h4-5,7-10,22-24H,6H2,1-3H3
InChIKey AZPLXDBZIQMMMT-UHFFFAOYSA-N
SMILES COc1cc2occ(-c3ccc(O)cc3O)c(=O)c2c(O)c1CC=C(C)C
Roles Classification
Biological Role(s): EC 1.1.1.21 (aldehyde reductase) inhibitor
An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD+ or NADP+ acceptor) inhibitor that interferes with the action of aldehyde reductase (EC 1.1.1.21).
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 7-O-methylluteone (CHEBI:27430) has functional parent luteone (CHEBI:27917)
7-O-methylluteone (CHEBI:27430) has role EC 1.1.1.21 (aldehyde reductase) inhibitor (CHEBI:48550)
7-O-methylluteone (CHEBI:27430) has role metabolite (CHEBI:25212)
7-O-methylluteone (CHEBI:27430) is a 7-methoxyisoflavones (CHEBI:140356)
7-O-methylluteone (CHEBI:27430) is a hydroxyisoflavone (CHEBI:38755)
7-O-methylluteone (CHEBI:27430) is conjugate acid of 7-O-methylluteone(1−) (CHEBI:77801)
Incoming 7-O-methylluteone(1−) (CHEBI:77801) is conjugate base of 7-O-methylluteone (CHEBI:27430)
IUPAC Name
3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-(3-methylbut-2-en-1-yl)-4H-chromen-4-one
Synonyms Sources
3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one ChEBI
5,2',4'-trihydroxy-7-methoxy-6-(3-methylbut-2-enyl)isoflavone ChEBI
7-O-methylluteone ChEBI
7-O-Methylluteone KEGG COMPOUND
Manual Xrefs Databases
7-O-METHYLLUTEON MetaCyc
7-O-Methylluteone Wikipedia
C00019056 KNApSAcK
C07290 KEGG COMPOUND
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Registry Numbers Types Sources
122290-50-0 CAS Registry Number Beilstein
4334565 Reaxys Registry Number Reaxys
4334565 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
12770595 PubMed citation Europe PMC
20460778 PubMed citation Europe PMC
Last Modified
02 April 2018